2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]-5-(prop-2-enoxycarbonylamino)pentanoic acid

Systemtic Name: 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]-5-(prop-2-enoxycarbonylamino)pentanoic acid Openeye Name: 5-(allyloxycarbonylamino)-2-[2-[methyl(p-tolylsulfonyl)amino]acetyl]pentanoic acid CAS Name: 2-[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]-5-[[oxo(prop-2-enoxy)methyl]amino]pentanoic acid IUPAC Name: 2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-5-(prop-2-enoxycarbonylamino)pentanoic acid Traditional Name: 5-(allyloxycarbonylamino)-2-[2-[methyl(tosyl)amino]acetyl]valeric acid Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)C(CCCNC(=O)OCC=C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)C(CCCNC(=O)OCC=C)C(=O)O

InChI

InChI=1S/C19H26N2O7S/c1-4-12-28-19(25)20-11-5-6-16(18(23)24)17(22)13-21(3)29(26,27)15-9-7-14(2)8-10-15/h4,7-10,16H,1,5-6,11-13H2,2-3H3,(H,20,25)(H,23,24)